5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide

C17H20N4OS2 — CID 110221887

IUPAC5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2nccs2)c1C
InChIInChI=1S/C17H20N4OS2/c1-4-13-11(2)15(21(3)20-13)16(22)19-14(17-18-6-8-24-17)9-12-5-7-23-10-12/h5-8,10,14H,4,9H2,1-3H3,(H,19,22)
InChIKeyJWFLTJAVPKLVNJ-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.52
Rot. Bonds6

About 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide

5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide (PubChem CID 110221887) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
PubChem CID110221887
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2nccs2)c1C
InChIInChI=1S/C17H20N4OS2/c1-4-13-11(2)15(21(3)20-13)16(22)19-14(17-18-6-8-24-17)9-12-5-7-23-10-12/h5-8,10,14H,4,9H2,1-3H3,(H,19,22)
InChIKeyJWFLTJAVPKLVNJ-UHFFFAOYSA-N
XLogP3.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 110221976
5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
CID 92588187
5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide
CID 110222100
4-(2-methylimidazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 92565850
4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 66116344
3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 110221863
1,3-dimethyl-5-[[[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]amino]methyl]-1,3-diazinane-2,4,6-trione
CID 110221820
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
CID 67759146
3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
CID 110221950
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110222003
1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-6-oxopyridine-3-carboxamide
CID 110221963
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 46966595

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide (CID 110221887) is 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide is CCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2nccs2)c1C.
What is the InChIKey of 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?
The InChIKey is JWFLTJAVPKLVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-4-13-11(2)15(21(3)20-13)16(22)19-14(17-18-6-8-24-17)9-12-5-7-23-10-12/h5-8,10,14H,4,9H2,1-3H3,(H,19,22).
What are the key properties of 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?
5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide has a molecular weight of 360.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110221887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).